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Quantum chemistry
Configuration interactions
10
Computational costs
6
Quantum theory
6
Wave functions
6
Configuration interaction method
4
Ground state
4
Matrix algebra
4
Numerical methods
4
Optimization
4
Reduced-density matrix
4
Algorithms
2
Computation theory
2
Computationally efficient
2
Dielectric medium
2
Dynamic correlation
2
Eigenvalues and eigenfunctions
2
Electron systems
2
Electronic structure
2
Electrons
2
Energy-based algorithms
2
Excitation operators
2
Excited states
2
Expectation values
2
Frequency dependent
2
Full configuration interaction
2
Geometry optimization
2
Ground-state energies
2
Magnetic resonance
2
Molecular dynamics
2
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1por Paredes Olivera, P., Estiú, Guillermina, Castro, Eduardo Alberto, Arvia, Alejandro JorgeMaterias: “...CO adsorbate configurations...”
Publicado 1990
Aportado por: SEDICI (UNLP)Articulo -
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3por Van Raemdonck, M., Alcoba, D.R., Poelmans, W., De Baerdemacker, S., Torre, A., Lain, L., Massaccesi, G.E., Van Neck, D., Bultinck, P.Materias: “...Configuration interactions...”
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4Publicado 2018Materias: “...Configuration interaction method...”
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5por Alcoba, D.R., Torre, A., Lain, L., Massaccesi, G.E., Oña, O.B., Honoré, E.M., Poelmans, W., Van Neck, D., Bultinck, P., De Baerdemacker, S.Materias: “...Configuration interaction method...”
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6Materias: “...Configuration interaction method...”
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7Materias: “...Configuration interaction method...”
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8Publicado 2018Materias: “...Configuration interactions...”
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9por Alcoba, D.R., Capuzzi, P., Rubio-García, A., Dukelsky, J., Massaccesi, G.E., Oña, O.B., Torre, A., Lain, L.Materias: “...Configuration interactions...”
JOUR -
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11por Aidas, K., Angeli, C., Bak, K.L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E.K., Ekström, U., Enevoldsen, T., Eriksen, J.J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L., Hald, K., Halkier, A., Hättig, C., Heiberg, H., Helgaker, T., Hennum, A.C., Hettema, H., Hjertenæs, E., Høst, S., Høyvik, I.-M., Iozzi, M.F., Jansík, B., Jensen, H.J.A., Jonsson, D., Jørgensen, P., Kauczor, J., Kirpekar, S., Kjærgaard, T., Klopper, W., Knecht, S., Kobayashi, R., Koch, H., Kongsted, J., Krapp, A., Kristensen, K., Ligabue, A., Lutnæs, O.B., Melo, J.I., Mikkelsen, K.V., Myhre, R.H., Neiss, C., Nielsen, C.B., Norman, P., Olsen, J., Olsen, J.M.H., Osted, A., Packer, M.J., Pawlowski, F., Pedersen, T.B., Provasi, P.F., Reine, S., Rinkevicius, Z., Ruden, T.A., Ruud, K., Rybkin, V.V., Sałek, P., Samson, C.C.M., de Merás, A.S., Saue, T., Sauer, S.P.A., Schimmelpfennig, B., Sneskov, K., Steindal, A.H., Sylvester-Hvid, K.O., Taylor, P.R., Teale, A.M., Tellgren, E.I., Tew, D.P., Thorvaldsen, A.J., Thøgersen, L., Vahtras, O., Watson, M.A., Wilson, D.J.D., Ziolkowski, M., Ågren, H.Materias: “...Configuration interactions...”
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